Table 1 List of force fields
From: Mathematical and computational modeling in biology at multiple scales
Name | Family | Type | Reference |
|---|---|---|---|
ff94 | Amber | All-atoms | [104] |
ff99 | Amber | All-atoms | [107] |
ff99SB | Amber | All-atoms | [106] |
ff03 | Amber | All-atoms | |
ff03.r1 | Amber | All-atoms | Â |
ff03ua | Amber | United-atoms | [114] |
ff12SB | Amber | All-atoms | [110] |
ff14SB | Amber | All-atoms | Â |
GAFF | Amber | All-atoms | [115] |
CHARMM | CHARMM | United-atoms | [117] |
CHARMM19 | CHARMM | United-atoms | [118] |
CHARMM22 | CHARMM | United-atoms | [119] |
CHARMM22/CMAP | CHARMM | United-atoms | [120] |
CHARMM27 | CHARMM | United-atoms | [116] |
CGenFF | CHARMM | United-atoms | [121] |
OPLS-UA | OPLS | United-atoms | [117] |
OPLS-AA | OPLS | All-atoms | [122] |
GROMOS (A-version) | GROMOS | United-atoms | [125] |
GROMOS (B-version) | GROMOS | United-atoms | [125] |
43A1 | GROMOS | United-atoms | [126] |
45A3 | GROMOS | United-atoms | [127] |
53A5 | GROMOS | United-atoms | [128] |
53A6 | GROMOS | United-atoms | [128] |
54A7 | GROMOS | United-atoms | |
54B7 | GROMOS | United-atoms | |
54A8 | GROMOS | United-atoms | |
MARTINI | MARTINI | Coarse-grained |